1,3-Dimethyl-4-Thioxo-3,4-Dihydro-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C6H8N2OS
IUPAC Name 1,3-dimethyl-4-thioxo-pyrimidin-2-one
Molecular Mass 156.206 g·mol−1
Heat of Formation -51.8 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 178.83 Å 3
Surface Area 177.56 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3-dimethyl-4-sulfanylidene-pyrimidin-2-one
  • 1,3-dimethyl-4-sulfanylidenepyrimidin-2-one
  • 1,3-dimethyl-4-thiouracil
  • 1,3-dimethyl-4-thioxo-2-pyrimidinone
  • 1,3-dm-4-tu
  • 2(1h)-pyrimidinone, 3,4-dihydro-1,3-dimethyl-4-thioxo-
  • ac-907/25004574
CAS Number(s)
  • 49785-67-3
InChIKey PMKLUUOSOUESOS-UHFFFAOYSA-N
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